2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile

C13H15FN2 — CID 65481545

IUPAC2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C13H15FN2/c14-12-3-1-2-11(8-12)9-16-10-13(4-5-13)6-7-15/h1-3,8,16H,4-6,9-10H2
InChIKeyKVHKDXPTLZPPSJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65481545) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65481545
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C13H15FN2/c14-12-3-1-2-11(8-12)9-16-10-13(4-5-13)6-7-15/h1-3,8,16H,4-6,9-10H2
InChIKeyKVHKDXPTLZPPSJ-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
CID 65481337
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
CID 65495607
2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 107635993
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]benzonitrile
CID 47627698
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile (CID 65481545) is 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCc2cccc(F)c2)CC1.
What is the InChIKey of 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is KVHKDXPTLZPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-3-1-2-11(8-12)9-16-10-13(4-5-13)6-7-15/h1-3,8,16H,4-6,9-10H2.
What are the key properties of 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65481545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).